VMD-L Mailing List

From: Bart Bruininks (b.m.h.bruininks_at_rug.nl)
Date: Tue Jun 16 2020 - 07:29:14 CDT

After some more testing I found a bug which is very likely a result of the
forced dump. Using trajectory smoothing with the dump causes a hard
rendering crash. I guess this is caused by the CPU only sending each frame
once and storing the ones needed for later averaging is not possible in the
GPU due to the forced dump. So although this solves some issues, it
probably creates new ones. For now I can get what I need, but frame
averaging is something we often use in MD simulations and would be a loss
as a feature.

Workaround for OPTIX memory piling
bash:
export VMDOPTIXDESTROYCONTEXT=1

New issue:
Trajectory averaging causes a hard rendering crash

Op wo 10 jun. 2020 om 18:16 schreef John Stone <johns_at_ks.uiuc.edu>:

> Bart,
> Great. I'm going to go out on a limb and predict that the cause of
> the memory consumption is a misbehavior of the OptiX RTX API for on-the-fly
> geometry buffer release during acceleration structure building:
> rtGeometryTrianglesSetBuildFlags(geom_hwtri,
> RT_GEOMETRY_BUILD_FLAG_RELEASE_BUFFERS)
>
> As per my other email, I've added an alternative code path for VMD that
> avoids using that feature, and instead lets VMD manage the RTX triangle
> geometry buffers itself. Having done so, my performance anomaly problem
> went away, and I'm wondering if your memory leak issue will go away too..--0000000000001c04ac05a832b395--